1-(4-methylpiperidine-1-carbonyl)-2-propan-2-yl-2-azaspiro[3.4]octan-3-one

C17H28N2O2 — CID 110204007

IUPAC1-(4-methylpiperidine-1-carbonyl)-2-propan-2-yl-2-azaspiro[3.4]octan-3-one
SMILESCC1CCN(C(=O)C2N(C(C)C)C(=O)C23CCCC3)CC1
InChIInChI=1S/C17H28N2O2/c1-12(2)19-14(17(16(19)21)8-4-5-9-17)15(20)18-10-6-13(3)7-11-18/h12-14H,4-11H2,1-3H3
InChIKeyYYOLAHDJYWEILS-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.42
Rot. Bonds2

About 1-(4-methylpiperidine-1-carbonyl)-2-propan-2-yl-2-azaspiro[3.4]octan-3-one

1-(4-methylpiperidine-1-carbonyl)-2-propan-2-yl-2-azaspiro[3.4]octan-3-one (PubChem CID 110204007) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 1-(4-methylpiperidine-1-carbonyl)-2-propan-2-yl-2-azaspiro[3.4]octan-3-one.

Molecular Properties

Compound Name1-(4-methylpiperidine-1-carbonyl)-2-propan-2-yl-2-azaspiro[3.4]octan-3-one
PubChem CID110204007
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name1-(4-methylpiperidine-1-carbonyl)-2-propan-2-yl-2-azaspiro[3.4]octan-3-one
SMILESCC1CCN(C(=O)C2N(C(C)C)C(=O)C23CCCC3)CC1
InChIInChI=1S/C17H28N2O2/c1-12(2)19-14(17(16(19)21)8-4-5-9-17)15(20)18-10-6-13(3)7-11-18/h12-14H,4-11H2,1-3H3
InChIKeyYYOLAHDJYWEILS-UHFFFAOYSA-N
XLogP2.42
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperidine-1-carbonyl)-2-propan-2-yl-2-azaspiro[3.4]octan-3-one?
The IUPAC name of 1-(4-methylpiperidine-1-carbonyl)-2-propan-2-yl-2-azaspiro[3.4]octan-3-one (CID 110204007) is 1-(4-methylpiperidine-1-carbonyl)-2-propan-2-yl-2-azaspiro[3.4]octan-3-one.
What is the SMILES notation for 1-(4-methylpiperidine-1-carbonyl)-2-propan-2-yl-2-azaspiro[3.4]octan-3-one?
The canonical SMILES for 1-(4-methylpiperidine-1-carbonyl)-2-propan-2-yl-2-azaspiro[3.4]octan-3-one is CC1CCN(C(=O)C2N(C(C)C)C(=O)C23CCCC3)CC1.
What is the InChIKey of 1-(4-methylpiperidine-1-carbonyl)-2-propan-2-yl-2-azaspiro[3.4]octan-3-one?
The InChIKey is YYOLAHDJYWEILS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-12(2)19-14(17(16(19)21)8-4-5-9-17)15(20)18-10-6-13(3)7-11-18/h12-14H,4-11H2,1-3H3.
What are the key properties of 1-(4-methylpiperidine-1-carbonyl)-2-propan-2-yl-2-azaspiro[3.4]octan-3-one?
1-(4-methylpiperidine-1-carbonyl)-2-propan-2-yl-2-azaspiro[3.4]octan-3-one has a molecular weight of 292.42 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperidine-1-carbonyl)-2-propan-2-yl-2-azaspiro[3.4]octan-3-one is sourced from PubChem (CID 110204007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).